CHEBI:168986 - Dioctyl hexanedioate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Dioctyl hexanedioate
ChEBI ID CHEBI:168986
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H42O4
Net Charge 0
Average Mass 370.574
Monoisotopic Mass 370.30831
InChI InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKey NEHDRDVHPTWWFG-UHFFFAOYSA-N
SMILES O(CCCCCCCC)C(=O)CCCCC(OCCCCCCCC)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Dioctyl hexanedioate (CHEBI:168986) is a carboxylic ester (CHEBI:33308)
IUPAC Name
dioctyl hexanedioate
Manual Xrefs Databases
29011 ChemSpider
HMDB0041619 HMDB
LMFA07010840 LIPID MAPS
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Registry Number Type Source
123-79-5 CAS Registry Number ChemIDplus